2-(4-bromophenyl)-6-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-N-phenylimidazo[1,2-a]pyrimidin-3-amine

C27H18BrClN6 — CID 50907918

IUPAC2-(4-bromophenyl)-6-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-N-phenylimidazo[1,2-a]pyrimidin-3-amine
SMILESClc1ccc(-c2cnc(-c3cnc4nc(-c5ccc(Br)cc5)c(Nc5ccccc5)n4c3)[nH]2)cc1
InChIInChI=1S/C27H18BrClN6/c28-20-10-6-18(7-11-20)24-26(32-22-4-2-1-3-5-22)35-16-19(14-31-27(35)34-24)25-30-15-23(33-25)17-8-12-21(29)13-9-17/h1-16,32H,(H,30,33)
InChIKeyKKEQHJBDKBADPR-UHFFFAOYSA-N
MW541.84 g/mol
LogP7.61
Rot. Bonds5

About 2-(4-bromophenyl)-6-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-N-phenylimidazo[1,2-a]pyrimidin-3-amine

2-(4-bromophenyl)-6-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-N-phenylimidazo[1,2-a]pyrimidin-3-amine (PubChem CID 50907918) has the molecular formula C27H18BrClN6 and a molecular weight of 541.84 g/mol. Its IUPAC name is 2-(4-bromophenyl)-6-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-N-phenylimidazo[1,2-a]pyrimidin-3-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)-6-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-N-phenylimidazo[1,2-a]pyrimidin-3-amine
PubChem CID50907918
Molecular FormulaC27H18BrClN6
Molecular Weight541.84 g/mol
Exact Mass540.05
IUPAC Name2-(4-bromophenyl)-6-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-N-phenylimidazo[1,2-a]pyrimidin-3-amine
SMILESClc1ccc(-c2cnc(-c3cnc4nc(-c5ccc(Br)cc5)c(Nc5ccccc5)n4c3)[nH]2)cc1
InChIInChI=1S/C27H18BrClN6/c28-20-10-6-18(7-11-20)24-26(32-22-4-2-1-3-5-22)35-16-19(14-31-27(35)34-24)25-30-15-23(33-25)17-8-12-21(29)13-9-17/h1-16,32H,(H,30,33)
InChIKeyKKEQHJBDKBADPR-UHFFFAOYSA-N
XLogP7.61
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.84
LogP ≤ 57.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-6-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-N-phenylimidazo[1,2-a]pyrimidin-3-amine?
The IUPAC name of 2-(4-bromophenyl)-6-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-N-phenylimidazo[1,2-a]pyrimidin-3-amine (CID 50907918) is 2-(4-bromophenyl)-6-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-N-phenylimidazo[1,2-a]pyrimidin-3-amine.
What is the SMILES notation for 2-(4-bromophenyl)-6-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-N-phenylimidazo[1,2-a]pyrimidin-3-amine?
The canonical SMILES for 2-(4-bromophenyl)-6-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-N-phenylimidazo[1,2-a]pyrimidin-3-amine is Clc1ccc(-c2cnc(-c3cnc4nc(-c5ccc(Br)cc5)c(Nc5ccccc5)n4c3)[nH]2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-6-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-N-phenylimidazo[1,2-a]pyrimidin-3-amine?
The InChIKey is KKEQHJBDKBADPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18BrClN6/c28-20-10-6-18(7-11-20)24-26(32-22-4-2-1-3-5-22)35-16-19(14-31-27(35)34-24)25-30-15-23(33-25)17-8-12-21(29)13-9-17/h1-16,32H,(H,30,33).
What are the key properties of 2-(4-bromophenyl)-6-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-N-phenylimidazo[1,2-a]pyrimidin-3-amine?
2-(4-bromophenyl)-6-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-N-phenylimidazo[1,2-a]pyrimidin-3-amine has a molecular weight of 541.84 g/mol, XLogP of 7.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-6-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-N-phenylimidazo[1,2-a]pyrimidin-3-amine is sourced from PubChem (CID 50907918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).